Found 1 result

Search term: MF = 'C_{15}H_{6}D_{5}I_{4}NO_{4}'
ChemSpider 2D Image | O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-(alpha,beta,beta,2,6-~2~H_5_)tyrosine | C15H6D5I4NO4

O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-(α,β,β,2,6-2H5)tyrosine

  • Molecular FormulaC15H6D5I4NO4
  • Average mass781.901 Da
  • Monoisotopic mass781.718018 Da
  • ChemSpider ID78362033

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

L-Tyrosine-α,β,β,2,6-d5, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo- [ACD/Index Name]
O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-(α,β,β,2,6-2H5)tyrosine [ACD/IUPAC Name]
O-(4-Hydroxy-3,5-diiodophényl)-3,5-diiodo-L-(α,β,β,2,6-2H5)tyrosine [French] [ACD/IUPAC Name]
O-(4-Hydroxy-3,5-diiodphenyl)-3,5-diiod-L-(α,β,β,2,6-2H5)tyrosin [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.6±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.795
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 8.02
ACD/KOC (pH 5.5): 29.83
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 8.84
Polar Surface Area: 93 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 294.7±3.0 cm3

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